2-Methylbutane(78-78-4) ¹³C NMR

Product Name2-Methylbutane

CAS 78-78-4

Molecular FormulaC5H12

Molecular Weight72.15

InChIInChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3

InChIKey QWTDNUCVQCZILF-UHFFFAOYSA-N

SmilesCC(C)CC

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3448          
isopentane
C5H12               (Mass of molecular ion:     72)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       2.2
      26.0       3.5
      27.0      43.4
      28.0       5.7
      29.0      60.2
      30.0       1.4
      37.0       1.3
      38.0       3.2
      39.0      30.2
      40.0       5.1
      41.0      88.4
      42.0      95.4
      43.0     100.0
      44.0       6.9
      50.0       2.4
      51.0       2.8
      53.0       3.7
      55.0      10.5
      56.0      40.4
      57.0      94.7
      58.0       5.7
      71.0       4.7
      72.0      16.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₂	0.04 ml : 0.5 ml CDCl₃
isopentane

    Assign.     Shift(ppm)

      A             1.447
      B             1.20
      C             0.869
      D             0.865
     
     J(B,D)=7.3 HZ.
     J(A,C)=6.6 HZ.
     J(A,B)=6.6 HZ

     Hz     ppm     Int.

    113.94   1.273     93
    107.38   1.199     98
    106.31   1.188    110
    101.75   1.137     79
    100.75   1.125    101
     99.81   1.115     82
     84.56   0.945    138
     83.25   0.930    188
     82.50   0.922    163
     80.50   0.899   1000
     77.44   0.865    456
     76.44   0.854    153
     74.56   0.833    700
     71.31   0.797     74
     69.69   0.779     77

in CDCl3